SCHEMBL4066826

SCHEMBL4066826

COc1ccc2c(C#N)c(C(C)=C(C)N)n(-c3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
PABPC1 P11940 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
NCOA1 Q15788 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
EDNRA P25101 2/20 0.42
MAPK8 P45983 10/20 0.42
ALDH1A1 P00352 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4066328 0.79 HTT (0.56) HTTKDM4EMEN1KMT2AMAPT
SCHEMBL4066828 0.72 KDM4E (0.48) HTTKDM4EMEN1KMT2AMAPT
SCHEMBL4794811 0.69 CLK1 (0.53) HTTKDM4EMEN1KMT2AMAPT
SCHEMBL25613235 0.69 KDM4E (0.60) HTTKDM4EMEN1KMT2AMAPT
SCHEMBL12109147 0.69 KDM4E (0.49) HTTKDM4EMEN1KMT2AMAPT
SCHEMBL5577123 0.68 KDM4E (0.44) HTTKDM4EMEN1KMT2AMAPT
SCHEMBL10165569 0.68 EDNRA (0.50) HTTKDM4EMEN1KMT2AMAPT
SCHEMBL31484565 0.67 KDM4E (0.56) HTTKDM4EMEN1KMT2AMAPT
SCHEMBL366921 0.66 KDM4E (1.00) HTTKDM4EMEN1KMT2AMAPT
SCHEMBL9537669 0.66 KDM4E (0.53) HTTKDM4EMEN1KMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960777-B1 SERUM-FREE EXPANSION OF CELLS IN CULTURE CHOONGWAE PHARMA CORP (KR) 2009-10-21 EP disclosed